Mol:FL5FFLNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3203 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3203 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3203 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3203 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0951 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0951 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0951 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0951 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4610 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4610 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0280 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0280 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0280 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0280 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4610 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4610 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7382 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7382 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6776 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6776 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1777 1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1777 1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5949 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5949 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7709 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7709 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6369 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6369 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3114 1.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3114 1.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7528 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7528 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1037 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1037 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3963 2.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3963 2.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 31 32 | + | M SAL 5 2 31 32 |
| − | M SBL 5 1 33 | + | M SBL 5 1 33 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 33 0.1037 1.4341 | + | M SVB 5 33 0.1037 1.4341 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 29 30 | + | M SAL 4 2 29 30 |
| − | M SBL 4 1 31 | + | M SBL 4 1 31 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 31 1.3114 1.7188 | + | M SVB 4 31 1.3114 1.7188 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 27 28 | + | M SAL 3 2 27 28 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 0.1037 -1.009 | + | M SVB 3 29 0.1037 -1.009 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 2.1617 1.1426 | + | M SVB 2 27 2.1617 1.1426 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.6776 0.4583 | + | M SVB 1 25 -2.6776 0.4583 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFLNS0007 | + | ID FL5FFLNS0007 |
| − | KNApSAcK_ID C00004944 | + | KNApSAcK_ID C00004944 |
| − | NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate | + | NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate |
| − | CAS_RN 83159-17-5 | + | CAS_RN 83159-17-5 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC | + | SMILES c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3203 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7382 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 1.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7528 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1037 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 2.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 31 32
M SBL 5 1 33
M SMT 5 OCH3
M SVB 5 33 0.1037 1.4341
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 29 30
M SBL 4 1 31
M SMT 4 OCH3
M SVB 4 31 1.3114 1.7188
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 0.1037 -1.009
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 2.1617 1.1426
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.6776 0.4583
S SKP 8
ID FL5FFLNS0007
KNApSAcK_ID C00004944
NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
CAS_RN 83159-17-5
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC
M END
